N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide Traditional Name: 3-besyl-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]propionamide Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19BrN2O4S/c1-13-11-14(19)7-8-16(13)21-18(23)12-20-17(22)9-10-26(24,25)15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)